SCHEMBL4052672

SCHEMBL4052672

CCn1nc(-c2ccsc2)c(C(=O)OCc2ccccc2)c(Nc2cnccc2C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.39
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ADORA2B P29275 2/20 0.36
ADORA2A P29274 2/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADORA1 P30542 1/20 0.33
TP53 P04637 1/20 0.33
TBXAS1 P24557 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4058334 0.95 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4053855 0.92 PDE4B (0.33) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4053577 0.92 PKM (0.37) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4051559 0.91 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4059385 0.87 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4050104 0.87 PDE4B (0.35) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4048561 0.87 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4050813 0.87 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4050885 0.87 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL4051583 0.87 ADORA1 (0.39) PDE4BPDE4APDE4CPDE4DPDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029996-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-29 US claimed
US-20090029996-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029996-A1 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease PDE12, PDE4A, PDE4B PDE4B 3/4885PDE4A 2/4885PDE4C 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.